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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Cyclohexaneacetic acid,4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]-,trans-

OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C Request for Quotation
Chemical Name: Cyclohexaneacetic acid,4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]-,trans-
CAS Number: 701232-20-4
Product Number: AG00FBB3(AGN-PC-0TXRWK)
Synonyms:
MDL No:
Molecular Formula: C22H26N4O3
Molecular Weight: 394.4668

Identification/Properties

Computed Properties
Molecular Weight:
394.475g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
394.2g/mol
Monoisotopic Mass:
394.2g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
622
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


With its unique structure and properties, trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid serves as a versatile tool in chemical synthesis. This compound is commonly used as a key building block in the creation of complex organic molecules, particularly in pharmaceutical research and development. The cyclohexaneacetic acid moiety provides a stable and rigid backbone for further functionalization, allowing for precise control over the stereochemistry of the synthesized compounds. Additionally, the presence of the amino-pyrimido-oxazin-phenyl group imparts specific reactivity and interactions, enabling selective bonding and catalytic transformations in multi-step synthesis processes. As such, trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid is a valuable tool for chemists seeking to design and construct novel chemical compounds with diverse applications.